Dodecyltrimethylammonium bromide

• CAS: 1119-94-4
• Catalog Number: ACM1119944
• Category: Ammonium Ionic Liquids
• Molecular Weight: 308.34
• Molecular Formula: C15H34BrN
• Synonyms: n-Dodecyl trimethylammonium bromide; N,N,N-trimethyl-1-dodecanaminium bromide
• IUPAC Name: dodecyl(trimethyl)azanium;bromide
• Canonical SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Br-]
• InChI: InChI=1S/C15H34N.BrH/c1-5-6-7-8-9-10-11-12-13-14-15-16(2,3)4;/h5-15H2,1-4H3;1H/q+1;/p-1
• InChI Key: XJWSAJYUBXQQDR-UHFFFAOYSA-M
• Melting Point: 246 °C
• Flash Point: 246°C
• Solubility: water, 995.5 mg/L @ 25 °C (est)
• Appearance: White crystal powder
• Application: Dodecyltrimethylammonium Bromide is a quaternary ammonium salt useful as paint strippers, foaming stabilizers, and bactericidal lotions.
• Storage: Store below +30°C.
• Assay: 0.98
• Complexity: 135
• Covalently-Bonded Unit Count: 2
• Defined Atom Stereocenter Count: 0
• EC Number: 214-290-3
• Exact Mass: 307.18746
• Formal Charge: 0
• H-Bond Acceptor: 1
• Heavy Atom Count: 17
• Hydrogen Bond Acceptor Count: 1
• Hydrogen Bond Donor Count: 0
• Isomeric SMILES: CCCCCCCCCCCC[N+](C)(C)C.[Br-]
• MDL Number: MFCD00011767
• Monoisotopic Mass: 307.18746
• Packaging: 1 kg
• Physical State: Powder
• Rotatable Bond Count: 11
• Stability: Stable under normal temperatures and pressures.
• Storage Conditions: Room temperature
• Topological Polar Surface Area: 0 Ų
• UNII: 6IC8NZ97S2

Custom Q&A

What is the molecular formula of Dodecyltrimethylammonium Bromide?

The molecular formula of Dodecyltrimethylammonium Bromide is C15H34BrN.

What is the molecular weight of Dodecyltrimethylammonium Bromide?

The molecular weight of Dodecyltrimethylammonium Bromide is 308.34 g/mol.

What are some synonyms of Dodecyltrimethylammonium Bromide?

Some synonyms of Dodecyltrimethylammonium Bromide include DTAB, Dctab, and Laurtrimonium bromide.

What is the role of Dodecyltrimethylammonium Bromide?

Dodecyltrimethylammonium Bromide has a role as a surfactant.

What is the IUPAC name of Dodecyltrimethylammonium Bromide?

The IUPAC name of Dodecyltrimethylammonium Bromide is dodecyl(trimethyl)azanium;bromide.

What is the InChIKey of Dodecyltrimethylammonium Bromide?

The InChIKey of Dodecyltrimethylammonium Bromide is XJWSAJYUBXQQDR-UHFFFAOYSA-M.

What is the Canonical SMILES of Dodecyltrimethylammonium Bromide?

The Canonical SMILES of Dodecyltrimethylammonium Bromide is CCCCCCCCCCCC[N+](C)(C)C.[Br-].

What is the CAS number of Dodecyltrimethylammonium Bromide?

The CAS number of Dodecyltrimethylammonium Bromide is 1119-94-4.

How many Rotatable Bond Count does Dodecyltrimethylammonium Bromide have?

Dodecyltrimethylammonium Bromide has 11 Rotatable Bond Count.

What is the topological Polar Surface Area of Dodecyltrimethylammonium Bromide?

The topological Polar Surface Area of Dodecyltrimethylammonium Bromide is 0-2.

Synthetic Use

Upstream Synthesis Route 1

• 143-15-7
• 75-50-3

• 1119-94-4

Reference: [1]Current Patent Assignee: NARA WOMEN'S UNIVERSITY; TOSOH CORPORATION - JP2015/168680, 2015, A
Location in patent: Paragraph 0070

Downstream Synthesis Route 1

• 1119-94-4
• 151-21-3

• 15830-42-9

Reference: [1]Jokela, Paeivi; Joensson, Bengt; Khan, Ali
[Journal of Physical Chemistry, 1987, vol. 91, # 12, p. 3291 - 3298]
[2]Location in patent: experimental part
Huang, Zheng-Lin; Hong, Jhen-Yi; Chang, Chien-Hsiang; Yang, Yu-Min
[Langmuir, 2010, vol. 26, # 4, p. 2374 - 2382]
[3]Location in patent: experimental part
Wu, Fu-Gen; Yu, Ji-Sheng; Sun, Shu-Feng; Yu, Zhi-Wu
[Langmuir, 2011, vol. 27, # 24, p. 14740 - 14747]
[4]Mihelj, Tea; Popović, Jasminka; Skoko, Željko; Tomašić, Vlasta
[Thermochimica Acta, 2014, vol. 591, p. 119 - 129]

* For details of the synthesis route, please refer to the original source to ensure accuracy.